The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of preci...

To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under diffe...

By forcing paraxylene into single wall carbon nanotubes, a large amount of external work can be converted to excess solid-liquid interfacial energy. Due to the hysteresis of sorption isotherm curves, as the external pressure is decreased, only a small fraction of the interfacial energy can be released, making this system attractive for design of advanced energy absorption devices. As the infilt...

By considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (SPT)  based on the work of cavity formation and the interaction energy between molecules. At the critical temperature, the interfacial tension between c...

Crack deflection and the subsequent growth of delamination cracks can be a potent source of energy dissipation during the fracture of layered ceramics. In this study, multilayered ceramics that consist of silicon nitride (Si3N4) layers separated by boron nitride/silicon nitride (BN/Si3N4) interphases have been manufactured and tested. Flexural tests reveal that the crack path is dependent on th...

Unlike liquids, for crystalline solids the surface tension is known to be different from the surface energy. However, the same cannot be said conclusively for amorphous materials like soft cross-linked elastomers. To resolve this issue we have introduced here a direct method for measuring solid-liquid interfacial tension by using the curved surface of a solid. In essence, we have used the inner...

Molecular dynamics simulations have been used to explore the effects of incident adatom angle upon the atomic scale structure of Ni/Cu/Ni multilayers grown by vapor deposition under controlled incident atom energy conditions. For incident atom energies of 1 eV or less, increasing the incident angle increased interfacial roughness, resulted in void formation in the nickel layer, and intermixing ...

The temperature dependencies of the c(f.c.c.)Ni/c-Ni3Al(L12) interfacial free energy for the {100}, {110}, and {111} interfaces are calculated using firstprinciples calculations, including both coherency strain energy and phonon vibrational entropy. Calculations performed including ferromagnetic effects predict that the {100}-type interface has the smallest free energy at different elevated tem...

The adhesion of Acidithiobacillus ferrooxidans bacterial cells have been assessed by following the thermodynamic and extended DLVO theoretical approaches. Surface potential, interfacial tension and contact angle parameters that are necessary for the calculation of free energy of adhesion have been determined experimentally. The Hamaker constant involved in the Lifshitz-van der Waals interaction...